GENERAL INFO

Title: /reac_prod_actspec_cyc/sp sf2
Browse item: https://iochem-bd.urv.es:443/browse/handle/100/3442
Program: Gaussian 16 ES64L-G16RevA.03
Author: Villares, Mario
Formula: FS2
Calculation type: Single point Structure
Method(s): RwB97XD

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: -1 1

Full point group
Full point group CS NOp 2

JOB |

Energies

Energy Value Units
SCF Done: -896.405181709 Eh

Energy Value Units
HF -896.4051817 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.6531 1.9314 -0.0000 2.0388

Quadrupole moment

XX YY ZZ XY XZ YZ
-41.3950 -38.3262 -37.4424 -3.3008 0.0000 0.0000

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